SCHEMBL21482489

SCHEMBL21482489

COC(=O)N1CCN(C2CCCCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MGLL Q99685 2/20 0.49
PHGDH O43175 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23334495 1.00 POLB (0.57) POLBHSD17B10PKMKMT2AMEN1
SCHEMBL1703120 0.85 L3MBTL3 (0.53) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3632935 0.84 L3MBTL3 (0.51) POLBHSD17B10ALDH1A1
SCHEMBL20762032 0.83 L3MBTL3 (0.51) KDM4E
SCHEMBL8178427 0.82 SHMT2 (0.50) POLBHSD17B10PKMKMT2AMEN1
SCHEMBL23689560 0.82 IRAK4 (0.44) POLBHSD17B10MGLLKCNH2HRH3
SCHEMBL25220881 0.82 IRAK4 (0.44) POLBHSD17B10MGLLKCNH2HRH3
SCHEMBL4383127 0.81 EPHX1 (0.57) POLBHSD17B10KMT2AMEN1MGLL
SCHEMBL20074966 0.79 HRH3 (0.40) POLBHSD17B10KCNH2HRH3
SCHEMBL1971010 0.79 EPHX1 (0.55) POLBHSD17B10KMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019199667-A2 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE KEANEY GREGG F (US) 2019-10-17 WO disclosed